butyl 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoate

Systemtic Name: butyl 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoate Openeye Name: butyl 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-furanyl]benzoic acid butyl ester IUPAC Name: butyl 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoic acid butyl ester Formula: C25H21N3O3 MolecularWeight: 411.45254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H21N3O3/c1-2-3-14-30-25(29)18-10-8-17(9-11-18)23-13-12-20(31-23)15-19(16-26)24-27-21-6-4-5-7-22(21)28-24/h4-13,15H,2-3,14H2,1H3,(H,27,28)/b19-15+